An experimental and kinetic modeling study of three butene isomers pyrolysis at low pressure

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• 作者：Yijun Zhang ; Jianghuai Cai ; Long Zhao ; Jiuzhong Yang ; Hanfeng Jin ; Zhanjun Cheng ; Yuyang Li ; Lidong Zhang ; Fei Qi ; ^{fqi@ustc.edu.cn}
• 关键词：Butene isomers ; Pyrolysis ; PAH ; Soot ; Synchrotron VUV photoionization mass spectrometry ; Kinetic model
• 刊名：Combustion and Flame
• 出版年：2012
• 出版时间：March 2012
• 年：2012
• 卷：159
• 期：3
• 页码：905-917
• 全文大小：1924 K

文摘

Pyrolysis of three butene isomers (C₄H₈) including 1-butene (1-C₄H₈), 2-butene (2-C₄H₈) and i-butene (iC₄H₈) were studied from 900 to 1900 K at low pressure. Synchrotron vacuum ultraviolet (VUV) photoionization mass spectrometry with molecular-beam sampling technique was used for isomeric identification of products and intermediates and also for concentration measurement. Based on the experimental results, a kinetic model consisting of 76 species and 232 reactions was developed to simulate mole fractions of species. The mole fraction profiles of pyrolysis species predicted by the model are in good agreement with the experimental measurements. The decomposition pathways of C₄H₈ are illustrated according to the reaction flux analysis. Our analysis demonstrates that reaction sequences 1-C₄H₈ ?#xA0;aC₃H₅ ?#xA0;aC₃H₄ ?#xA0;pC₃H₄ ?#xA0;C₂H₂, 2-C₄H₈ ?#xA0;saxC₄H₇ ?#xA0;1,3-C₄H₆ ?#xA0;C₂H₃ ?#xA0;C₂H₂ and iC₄H₈ ?#xA0;iC₄H₇ ?#xA0;aC₃H₄ ?#xA0;pC₃H₄ ?#xA0;C₂H₂ are the major decomposition pathways of 1-butene, 2-butene and i-butene, respectively.